1,4-diazepan-1-yl-[4-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[4-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[2-methoxyethyl(o-tolylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[2-methoxyethyl-(2-methylbenzyl)amino]-1-(2-thenoyl)pyrrolidin-2-yl]methanone Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CCOC)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)N4CCCNCC4

Isomeric SMILES

CC1=CC=CC=C1CN(CCOC)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)N4CCCNCC4

InChI

InChI=1S/C26H36N4O3S/c1-20-7-3-4-8-21(20)18-29(14-15-33-2)22-17-23(25(31)28-12-6-10-27-11-13-28)30(19-22)26(32)24-9-5-16-34-24/h3-5,7-9,16,22-23,27H,6,10-15,17-19H2,1-2H3